S721-0968 Screening compound: N-cyclopropyl-1-(3-methylbutanoyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

S721-0968 Screening compound: N-cyclopropyl-1-(3-methylbutanoyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
S721-0968 Screening compound: N-cyclopropyl-1-(3-methylbutanoyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0968
N-cyclopropyl-1-(3-methylbutanoyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S721-0968

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

N-cyclopropyl-1-(3-methylbutanoyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2S4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

CC(C)CC(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(NC1CC1)=O)=O

InChI

InChI=1S/C18H25N3O3/c1-12(2)8-17(22)21-11-15(24-14-4-3-7-19-10-14)9-16(21)18(23)20-13-5-6-13/h3-4,7,10,12-13,15-16H,5-6,8-9,11H2,1-2H3,(H,20,23)/t15-,16-/m0/s1

InChI Key

JSTFVNJPOHRCRX-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.666

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-1.31

Polar Surface Area

56.873

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S721-0968 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S721-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0968?
Check Price and Availability of S721-0968, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S721-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0968
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S721-0968 available by request